2-[bis(ethylsulfanyl)phosphinothioylmethyl-phenylmethoxycarbonyl-amino]butanoic acid

Systemtic Name: 2-[bis(ethylsulfanyl)phosphinothioylmethyl-phenylmethoxycarbonyl-amino]butanoic acid Openeye Name: 2-[benzyloxycarbonyl-[bis(ethylsulfanyl)phosphinothioylmethyl]amino]butanoic acid CAS Name: 2-[bis(ethylthio)phosphinothioylmethyl-phenylmethoxycarbonylamino]butanoic acid IUPAC Name: 2-[bis(ethylsulfanyl)phosphinothioylmethyl-phenylmethoxycarbonylamino]butanoic acid Traditional Name: 2-[bis(ethylthio)thiophosphorylmethyl-carbobenzoxy-amino]butyric acid Formula: C17H26NO4PS3 MolecularWeight: 435.561401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(CP(=S)(SCC)SCC)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC(C(=O)O)N(CP(=S)(SCC)SCC)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H26NO4PS3/c1-4-15(16(19)20)18(13-23(24,25-5-2)26-6-3)17(21)22-12-14-10-8-7-9-11-14/h7-11,15H,4-6,12-13H2,1-3H3,(H,19,20)